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1,2-Cyclohexanedicarboxylic acid, dodecyl pentafluorobenzyl ester

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, dodecyl pentafluorobenzyl ester
SpectraBase Compound ID 17EuM5y9KoZ
InChI InChI=1S/C27H37F5O4/c1-2-3-4-5-6-7-8-9-10-13-16-35-26(33)18-14-11-12-15-19(18)27(34)36-17-20-21(28)23(30)25(32)24(31)22(20)29/h18-19H,2-17H2,1H3
InChIKey HWTHXOGHAHGKBG-UHFFFAOYSA-N
Mol Weight 520.6 g/mol
Molecular Formula C27H37F5O4
Exact Mass 520.2612 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CEXAMtRC99D
Name 1,2-Cyclohexanedicarboxylic acid, dodecyl pentafluorobenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 520.261200482 u
Formula C27H37F5O4
InChI InChI=1S/C27H37F5O4/c1-2-3-4-5-6-7-8-9-10-13-16-35-26(33)18-14-11-12-15-19(18)27(34)36-17-20-21(28)23(30)25(32)24(31)22(20)29/h18-19H,2-17H2,1H3
InChIKey HWTHXOGHAHGKBG-UHFFFAOYSA-N
Molecular Weight 520.581 g/mol
SMILES C1(=C(C(=C(C(=C1F)F)F)F)COC(C1CCCCC1C(OCCCCCCCCCCCC)=O)=O)F